4-Bromo-3-cyclohexen-1-ol

CAT: 0127-OR1083716-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083716-01Size:250 mg

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CAS Number

1450812-67-5

MDL Number

MFCD29949914

Purity

97%

Smiles

C1C (CCC (=C1) Br) O

Chemical Information

4-Bromo-3-cyclohexen-1-ol

CAS Number	1450812-67-5
PubChem CID	130130916
IUPAC Name	4-bromocyclohex-3-en-1-ol
Molecular Formula	C6H9BrO
Molecular Weight	177.04
XLogP	1.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	109

SMILES

C1CC(=CCC1O)Br

InChI

InChI=1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h1,6,8H,2-4H2

InChIKey

JTROYVYRIYPSJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1450812-67-5

CID: 130130916

Formula: C6H9BrO

MW: 177.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.04
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	175.98368
Monoisotopic Mass	175.98368
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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